4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride

C17H29Cl2N3O — CID 119842344

IUPAC4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-13(2)20-10-8-16(9-11-20)19(3)17(21)15-6-4-14(12-18)5-7-15;;/h4-7,13,16H,8-12,18H2,1-3H3;2*1H
InChIKeyGNBZCSAPZKRXLV-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.93
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride

4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 119842344) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID119842344
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-13(2)20-10-8-16(9-11-20)19(3)17(21)15-6-4-14(12-18)5-7-15;;/h4-7,13,16H,8-12,18H2,1-3H3;2*1H
InChIKeyGNBZCSAPZKRXLV-UHFFFAOYSA-N
XLogP2.93
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride (CID 119842344) is 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride is CC(C)N1CCC(N(C)C(=O)c2ccc(CN)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is GNBZCSAPZKRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-13(2)20-10-8-16(9-11-20)19(3)17(21)15-6-4-14(12-18)5-7-15;;/h4-7,13,16H,8-12,18H2,1-3H3;2*1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride?
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119842344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).