(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

C16H23ClN2O — CID 63241686

IUPAC(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12(2)18-10-13-6-5-9-19(11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyGRDRXZHTPNMPNR-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.19
Rot. Bonds4

About (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 63241686) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID63241686
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12(2)18-10-13-6-5-9-19(11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyGRDRXZHTPNMPNR-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241236
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
(3-chloro-4-iodophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 103805724
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(4-bromo-2-fluorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241370

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (CID 63241686) is (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is CC(C)NCC1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is GRDRXZHTPNMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(2)18-10-13-6-5-9-19(11-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 294.83 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 63241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).