[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone

C16H22ClN3O — CID 20744184

IUPAC[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone
SMILESNCC1CCN(C(=O)N2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H22ClN3O/c17-15-3-1-13(2-4-15)14-10-20(11-14)16(21)19-7-5-12(9-18)6-8-19/h1-4,12,14H,5-11,18H2
InChIKeyOKISCKXWAAFKGT-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.53
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone

[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone (PubChem CID 20744184) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone
PubChem CID20744184
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone
SMILESNCC1CCN(C(=O)N2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H22ClN3O/c17-15-3-1-13(2-4-15)14-10-20(11-14)16(21)19-7-5-12(9-18)6-8-19/h1-4,12,14H,5-11,18H2
InChIKeyOKISCKXWAAFKGT-UHFFFAOYSA-N
XLogP2.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
(E)-1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 62064087
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124612046
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-[(4-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 119485442
2-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-(4-chlorophenyl)ethanone
CID 119484620
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone (CID 20744184) is [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone is NCC1CCN(C(=O)N2CC(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone?
The InChIKey is OKISCKXWAAFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-15-3-1-13(2-4-15)14-10-20(11-14)16(21)19-7-5-12(9-18)6-8-19/h1-4,12,14H,5-11,18H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone?
[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone has a molecular weight of 307.82 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 20744184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).