N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

C17H36N4 — CID 43308281

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCC(C(C)NCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-4-20-10-6-17(7-11-20)16(2)18-8-5-9-21-14-12-19(3)13-15-21/h16-18H,4-15H2,1-3H3
InChIKeyLMZRMOKKKUILSX-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.33
Rot. Bonds7

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 43308281) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID43308281
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCC(C(C)NCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-4-20-10-6-17(7-11-20)16(2)18-8-5-9-21-14-12-19(3)13-15-21/h16-18H,4-15H2,1-3H3
InChIKeyLMZRMOKKKUILSX-UHFFFAOYSA-N
XLogP1.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
CID 115709438
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 43308281) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is CCN1CCC(C(C)NCCCN2CCN(C)CC2)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is LMZRMOKKKUILSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-4-20-10-6-17(7-11-20)16(2)18-8-5-9-21-14-12-19(3)13-15-21/h16-18H,4-15H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 43308281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).