(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride

C16H25Cl2N3O — CID 119999664

IUPAC(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cn1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-4-5-14(11-18-12)16(20)19-9-6-13(7-10-19)15-3-2-8-17-15;;/h4-5,11,13,15,17H,2-3,6-10H2,1H3;2*1H
InChIKeyVXBVFUMGFNIZMD-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.84
Rot. Bonds2

About (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride

(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 119999664) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID119999664
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cn1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-12-4-5-14(11-18-12)16(20)19-9-6-13(7-10-19)15-3-2-8-17-15;;/h4-5,11,13,15,17H,2-3,6-10H2,1H3;2*1H
InChIKeyVXBVFUMGFNIZMD-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5aS,9aR)-1,2,3,4,5,5a,6,8,9,9a-decahydropyrido[4,3-b]azepin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 110124578
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(4-methyl-3-nitrophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999434

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride (CID 119999664) is (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride is Cc1ccc(C(=O)N2CCC(C3CCCN3)CC2)cn1.Cl.Cl.
What is the InChIKey of (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is VXBVFUMGFNIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-12-4-5-14(11-18-12)16(20)19-9-6-13(7-10-19)15-3-2-8-17-15;;/h4-5,11,13,15,17H,2-3,6-10H2,1H3;2*1H.
What are the key properties of (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride?
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119999664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).