(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C17H24N2O — CID 63259067

IUPAC(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-13-4-6-15(7-5-13)17(20)19-11-8-14(9-12-19)16-3-2-10-18-16/h4-7,14,16,18H,2-3,8-12H2,1H3
InChIKeyWTMFCLKBLNUIHX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds2

About (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259067) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259067
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-13-4-6-15(7-5-13)17(20)19-11-8-14(9-12-19)16-3-2-10-18-16/h4-7,14,16,18H,2-3,8-12H2,1H3
InChIKeyWTMFCLKBLNUIHX-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(4-methylphenyl)methanone
CID 102679912
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
(4-methyl-3-nitrophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999434

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259067) is (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is WTMFCLKBLNUIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-6-15(7-5-13)17(20)19-11-8-14(9-12-19)16-3-2-10-18-16/h4-7,14,16,18H,2-3,8-12H2,1H3.
What are the key properties of (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).