[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

C19H25Cl2N3O — CID 154911472

IUPAC[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1
InChIInChI=1S/C19H23N3O.2ClH/c20-13-16-3-1-5-18(12-16)19(23)22-9-6-15(7-10-22)11-17-4-2-8-21-14-17;;/h1-5,8,12,14-15H,6-7,9-11,13,20H2;2*1H
InChIKeyYKKFEPDXNIGVMT-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.48
Rot. Bonds4

About [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 154911472) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID154911472
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1
InChIInChI=1S/C19H23N3O.2ClH/c20-13-16-3-1-5-18(12-16)19(23)22-9-6-15(7-10-22)11-17-4-2-8-21-14-17;;/h1-5,8,12,14-15H,6-7,9-11,13,20H2;2*1H
InChIKeyYKKFEPDXNIGVMT-UHFFFAOYSA-N
XLogP3.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (CID 154911472) is [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.NCc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is YKKFEPDXNIGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c20-13-16-3-1-5-18(12-16)19(23)22-9-6-15(7-10-22)11-17-4-2-8-21-14-17;;/h1-5,8,12,14-15H,6-7,9-11,13,20H2;2*1H.
What are the key properties of [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 154911472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).