2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine

C16H24ClN — CID 55182780

IUPAC2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CN2CCCCC2CCl)cc1
InChIInChI=1S/C16H24ClN/c1-13(2)15-8-6-14(7-9-15)12-18-10-4-3-5-16(18)11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyYGWOKSJJCWILKE-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.40
Rot. Bonds4

About 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine

2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 55182780) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID55182780
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CN2CCCCC2CCl)cc1
InChIInChI=1S/C16H24ClN/c1-13(2)15-8-6-14(7-9-15)12-18-10-4-3-5-16(18)11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyYGWOKSJJCWILKE-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.40
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

2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 65489547
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine (CID 55182780) is 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine is CC(C)c1ccc(CN2CCCCC2CCl)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is YGWOKSJJCWILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-13(2)15-8-6-14(7-9-15)12-18-10-4-3-5-16(18)11-17/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine?
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 265.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 55182780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).