1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium

C16H23ClN+ — CID 140667657

IUPAC1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
SMILESClc1ccc(C2(C[NH+]3CCCCC3)CCC2)cc1
InChIInChI=1S/C16H22ClN/c17-15-7-5-14(6-8-15)16(9-4-10-16)13-18-11-2-1-3-12-18/h5-8H,1-4,9-13H2/p+1
InChIKeyJPHQWIGGRJVAKB-UHFFFAOYSA-O
MW264.82 g/mol
LogP2.83
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium

1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium (PubChem CID 140667657) has the molecular formula C16H23ClN+ and a molecular weight of 264.82 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
PubChem CID140667657
Molecular FormulaC16H23ClN+
Molecular Weight264.82 g/mol
Exact Mass264.15
IUPAC Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium
SMILESClc1ccc(C2(C[NH+]3CCCCC3)CCC2)cc1
InChIInChI=1S/C16H22ClN/c17-15-7-5-14(6-8-15)16(9-4-10-16)13-18-11-2-1-3-12-18/h5-8H,1-4,9-13H2/p+1
InChIKeyJPHQWIGGRJVAKB-UHFFFAOYSA-O
XLogP2.83
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
CID 144796652
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium (CID 140667657) is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium is Clc1ccc(C2(C[NH+]3CCCCC3)CCC2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium?
The InChIKey is JPHQWIGGRJVAKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22ClN/c17-15-7-5-14(6-8-15)16(9-4-10-16)13-18-11-2-1-3-12-18/h5-8H,1-4,9-13H2/p+1.
What are the key properties of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium?
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium has a molecular weight of 264.82 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-1-ium is sourced from PubChem (CID 140667657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).