4-chloro-1-(4-methylpentyl)piperidine

C11H22ClN — CID 83168582

IUPAC4-chloro-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Cl)CC1
InChIInChI=1S/C11H22ClN/c1-10(2)4-3-7-13-8-5-11(12)6-9-13/h10-11H,3-9H2,1-2H3
InChIKeyUUTJVGHGDQEPMB-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-1-(4-methylpentyl)piperidine

4-chloro-1-(4-methylpentyl)piperidine (PubChem CID 83168582) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-chloro-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(4-methylpentyl)piperidine
PubChem CID83168582
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-chloro-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Cl)CC1
InChIInChI=1S/C11H22ClN/c1-10(2)4-3-7-13-8-5-11(12)6-9-13/h10-11H,3-9H2,1-2H3
InChIKeyUUTJVGHGDQEPMB-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
N-methyl-1-(4-methylpentyl)-N-(2-methylpropyl)piperidin-4-amine
CID 138728385
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
N-ethyl-1-(7-methyloctyl)piperidin-4-amine
CID 114004129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylpentyl)piperidine?
The IUPAC name of 4-chloro-1-(4-methylpentyl)piperidine (CID 83168582) is 4-chloro-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 4-chloro-1-(4-methylpentyl)piperidine?
The canonical SMILES for 4-chloro-1-(4-methylpentyl)piperidine is CC(C)CCCN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(4-methylpentyl)piperidine?
The InChIKey is UUTJVGHGDQEPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-10(2)4-3-7-13-8-5-11(12)6-9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-1-(4-methylpentyl)piperidine?
4-chloro-1-(4-methylpentyl)piperidine has a molecular weight of 203.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 83168582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).