1-(6-chlorohexyl)-4-propan-2-ylpiperidine

C14H28ClN — CID 103501532

IUPAC1-(6-chlorohexyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCCCCCCl)CC1
InChIInChI=1S/C14H28ClN/c1-13(2)14-7-11-16(12-8-14)10-6-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyDMPOAYADVRBSEB-UHFFFAOYSA-N
MW245.84 g/mol
LogP4.15
Rot. Bonds7

About 1-(6-chlorohexyl)-4-propan-2-ylpiperidine

1-(6-chlorohexyl)-4-propan-2-ylpiperidine (PubChem CID 103501532) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(6-chlorohexyl)-4-propan-2-ylpiperidine
PubChem CID103501532
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC Name1-(6-chlorohexyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCCCCCCl)CC1
InChIInChI=1S/C14H28ClN/c1-13(2)14-7-11-16(12-8-14)10-6-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyDMPOAYADVRBSEB-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
6-(4-propan-2-ylpiperidin-1-yl)hexan-3-amine
CID 106800167
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(6-chlorohexyl)-4-propan-2-ylpiperidine (CID 103501532) is 1-(6-chlorohexyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(6-chlorohexyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(6-chlorohexyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CCCCCCCl)CC1.
What is the InChIKey of 1-(6-chlorohexyl)-4-propan-2-ylpiperidine?
The InChIKey is DMPOAYADVRBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClN/c1-13(2)14-7-11-16(12-8-14)10-6-4-3-5-9-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(6-chlorohexyl)-4-propan-2-ylpiperidine?
1-(6-chlorohexyl)-4-propan-2-ylpiperidine has a molecular weight of 245.84 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 103501532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).