(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C16H21ClN2O — CID 81297532

IUPAC(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-15-4-2-1-3-14(15)16(20)19-9-7-13(8-10-19)18-11-12-5-6-12/h1-4,12-13,18H,5-11H2
InChIKeyXRLGNPHBKUAUKP-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.94
Rot. Bonds4

About (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 81297532) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID81297532
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21ClN2O/c17-15-4-2-1-3-14(15)16(20)19-9-7-13(8-10-19)18-11-12-5-6-12/h1-4,12-13,18H,5-11H2
InChIKeyXRLGNPHBKUAUKP-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 106502684
(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
CID 128995391
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 81297532) is (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is XRLGNPHBKUAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-15-4-2-1-3-14(15)16(20)19-9-7-13(8-10-19)18-11-12-5-6-12/h1-4,12-13,18H,5-11H2.
What are the key properties of (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 292.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 81297532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).