[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride

C16H23ClN2O — CID 119560283

IUPAC[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-17-14-7-11-18(12-8-14)15(19)16(9-10-16)13-5-3-2-4-6-13;/h2-6,14,17H,7-12H2,1H3;1H
InChIKeyUGOOPXPNRKKWGF-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.35
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride (PubChem CID 119560283) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
PubChem CID119560283
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-17-14-7-11-18(12-8-14)15(19)16(9-10-16)13-5-3-2-4-6-13;/h2-6,14,17H,7-12H2,1H3;1H
InChIKeyUGOOPXPNRKKWGF-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride (CID 119560283) is [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride is CNC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The InChIKey is UGOOPXPNRKKWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-17-14-7-11-18(12-8-14)15(19)16(9-10-16)13-5-3-2-4-6-13;/h2-6,14,17H,7-12H2,1H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119560283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).