1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine

C44H95N7 — CID 158839961

IUPAC1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine
SMILESC1CCNCC1.CC1CCCCN1.CC1CCNCC1.CCC1CCCCN1.CCC1CCNCC1.CCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C7H15N.3C6H13N.C5H11N/c1-2-7-3-5-8-6-4-7;1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-8-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;6H,1-5H2
InChIKeyIYCOSVCLNQNJTM-UHFFFAOYSA-N
MW722.29 g/mol
LogP8.44
Rot. Bonds3

About 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine

1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine (PubChem CID 158839961) has the molecular formula C44H95N7 and a molecular weight of 722.29 g/mol. Its IUPAC name is 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine.

Molecular Properties

Compound Name1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine
PubChem CID158839961
Molecular FormulaC44H95N7
Molecular Weight722.29 g/mol
Exact Mass721.76
IUPAC Name1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine
SMILESC1CCNCC1.CC1CCCCN1.CC1CCNCC1.CCC1CCCCN1.CCC1CCNCC1.CCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C7H15N.3C6H13N.C5H11N/c1-2-7-3-5-8-6-4-7;1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-8-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;6H,1-5H2
InChIKeyIYCOSVCLNQNJTM-UHFFFAOYSA-N
XLogP8.44
TPSA66.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.29
LogP ≤ 58.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine with MolForge

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Launch Full Analysis

Related Compounds

Quinuclidinium pentaiodide
CID 129691072
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine;1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 44148487
2-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-N-[2-(4-dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl]ethanamine
CID 162669953
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
2,9-Dimethyl-2,9-diazaspiro[5.5]undecane;3,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 90996887
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
4-(2-Piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine
CID 134565670
1-[(9-Ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane
CID 135257278
N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]hexane-1,6-diamine
CID 139699004
2-[2-[4,8,11-Tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine
CID 141085357

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine?
The IUPAC name of 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine (CID 158839961) is 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine.
What is the SMILES notation for 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine?
The canonical SMILES for 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine is C1CCNCC1.CC1CCCCN1.CC1CCNCC1.CCC1CCCCN1.CCC1CCNCC1.CCN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine?
The InChIKey is IYCOSVCLNQNJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.3C6H13N.C5H11N/c1-2-7-3-5-8-6-4-7;1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-8-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1/h7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;6H,1-5H2.
What are the key properties of 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine?
1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine has a molecular weight of 722.29 g/mol, XLogP of 8.44, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;2-ethylpiperidine;4-ethylpiperidine;1-methylpiperidine;2-methylpiperidine;4-methylpiperidine;piperidine is sourced from PubChem (CID 158839961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).