1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine

C15H29N — CID 164552160

IUPAC1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine
SMILESC=C(C(C)C)N1CCC(CCCCC)CC1
InChIInChI=1S/C15H29N/c1-5-6-7-8-15-9-11-16(12-10-15)14(4)13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyMCRQSOGZWVXODV-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.45
Rot. Bonds6

About 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine

1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine (PubChem CID 164552160) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine
PubChem CID164552160
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine
SMILESC=C(C(C)C)N1CCC(CCCCC)CC1
InChIInChI=1S/C15H29N/c1-5-6-7-8-15-9-11-16(12-10-15)14(4)13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyMCRQSOGZWVXODV-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
4-octyl-1-propan-2-ylpiperidine
CID 167231286
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
4-pentylpiperidin-1-amine
CID 69326723
hexane;pentylcyclopropane
CID 159592467
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
CID 156858767
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
ethene;pentylcyclopentane
CID 145442606

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine (CID 164552160) is 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine is C=C(C(C)C)N1CCC(CCCCC)CC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine?
The InChIKey is MCRQSOGZWVXODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-6-7-8-15-9-11-16(12-10-15)14(4)13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine?
1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine has a molecular weight of 223.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine is sourced from PubChem (CID 164552160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).