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

C16H23ClN2O — CID 166001503

IUPAC[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O.ClH/c17-12-13-6-10-18(11-7-13)15(19)16(8-9-16)14-4-2-1-3-5-14;/h1-5,13H,6-12,17H2;1H
InChIKeyOMOBGVJRKFIJBD-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.34
Rot. Bonds3

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

[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride (PubChem CID 166001503) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
PubChem CID166001503
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O.ClH/c17-12-13-6-10-18(11-7-13)15(19)16(8-9-16)14-4-2-1-3-5-14;/h1-5,13H,6-12,17H2;1H
InChIKeyOMOBGVJRKFIJBD-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride (CID 166001503) is [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
The InChIKey is OMOBGVJRKFIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c17-12-13-6-10-18(11-7-13)15(19)16(8-9-16)14-4-2-1-3-5-14;/h1-5,13H,6-12,17H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.34, 3 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]-(1-phenylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 166001503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).