4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine

C11H20ClN — CID 106837974

IUPAC4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
SMILESCC(Cl)C1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20ClN/c1-9(12)11-4-6-13(7-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyCCWIHJYEYAIKEQ-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.74
Rot. Bonds3

About 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine

4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine (PubChem CID 106837974) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
PubChem CID106837974
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
SMILESCC(Cl)C1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20ClN/c1-9(12)11-4-6-13(7-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyCCWIHJYEYAIKEQ-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.74
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

1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
CID 106837993
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine (CID 106837974) is 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine is CC(Cl)C1CCN(CC2CC2)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine?
The InChIKey is CCWIHJYEYAIKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-9(12)11-4-6-13(7-5-11)8-10-2-3-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine?
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine has a molecular weight of 201.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine is sourced from PubChem (CID 106837974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).