1-(4-pentylnonyl)piperidine

C19H39N — CID 68557490

IUPAC1-(4-pentylnonyl)piperidine
SMILESCCCCCC(CCCCC)CCCN1CCCCC1
InChIInChI=1S/C19H39N/c1-3-5-8-13-19(14-9-6-4-2)15-12-18-20-16-10-7-11-17-20/h19H,3-18H2,1-2H3
InChIKeyXFOWAIYFBFADEV-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.03
Rot. Bonds12

About 1-(4-pentylnonyl)piperidine

1-(4-pentylnonyl)piperidine (PubChem CID 68557490) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(4-pentylnonyl)piperidine.

Molecular Properties

Compound Name1-(4-pentylnonyl)piperidine
PubChem CID68557490
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(4-pentylnonyl)piperidine
SMILESCCCCCC(CCCCC)CCCN1CCCCC1
InChIInChI=1S/C19H39N/c1-3-5-8-13-19(14-9-6-4-2)15-12-18-20-16-10-7-11-17-20/h19H,3-18H2,1-2H3
InChIKeyXFOWAIYFBFADEV-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.03
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-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(3-pentyldecyl)pyrrolidine
CID 130279619
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
6,26-dipentylhentriacontan-16-yl 4-pyrrolidin-1-ylbutanoate
CID 144641665
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
1-hexylpyrrolidine;propan-2-amine
CID 166169325

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylnonyl)piperidine?
The IUPAC name of 1-(4-pentylnonyl)piperidine (CID 68557490) is 1-(4-pentylnonyl)piperidine.
What is the SMILES notation for 1-(4-pentylnonyl)piperidine?
The canonical SMILES for 1-(4-pentylnonyl)piperidine is CCCCCC(CCCCC)CCCN1CCCCC1.
What is the InChIKey of 1-(4-pentylnonyl)piperidine?
The InChIKey is XFOWAIYFBFADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-8-13-19(14-9-6-4-2)15-12-18-20-16-10-7-11-17-20/h19H,3-18H2,1-2H3.
What are the key properties of 1-(4-pentylnonyl)piperidine?
1-(4-pentylnonyl)piperidine has a molecular weight of 281.53 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylnonyl)piperidine is sourced from PubChem (CID 68557490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).