[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

C19H29ClN2O — CID 119540404

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-20-13-15-11-12-21(14-15)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-6,15,17-18,20H,7-14H2,1H3;1H
InChIKeySZIOVSBVVIDIKB-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.45
Rot. Bonds4

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (PubChem CID 119540404) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
PubChem CID119540404
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-20-13-15-11-12-21(14-15)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-6,15,17-18,20H,7-14H2,1H3;1H
InChIKeySZIOVSBVVIDIKB-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (CID 119540404) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is CNCC1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The InChIKey is SZIOVSBVVIDIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-20-13-15-11-12-21(14-15)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;/h2-6,15,17-18,20H,7-14H2,1H3;1H.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 119540404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).