N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride

C19H29Cl2N3S — CID 154889541

IUPACN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride
SMILESCc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C19H27N3S.2ClH/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17;;/h4-6,11-12,20H,7-10,13-14H2,1-3H3;2*1H
InChIKeyVRAXATLNJMQIBK-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.36
Rot. Bonds5

About N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride

N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride (PubChem CID 154889541) has the molecular formula C19H29Cl2N3S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride
PubChem CID154889541
Molecular FormulaC19H29Cl2N3S
Molecular Weight402.44 g/mol
Exact Mass401.15
IUPAC NameN-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride
SMILESCc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C19H27N3S.2ClH/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17;;/h4-6,11-12,20H,7-10,13-14H2,1-3H3;2*1H
InChIKeyVRAXATLNJMQIBK-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride (CID 154889541) is N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride is Cc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1.Cl.Cl.
What is the InChIKey of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride?
The InChIKey is VRAXATLNJMQIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S.2ClH/c1-15-4-5-18(21-12-15)19(7-9-20-10-8-19)14-22(3)13-17-16(2)6-11-23-17;;/h4-6,11-12,20H,7-10,13-14H2,1-3H3;2*1H.
What are the key properties of N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride?
N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride has a molecular weight of 402.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1-(3-methylthiophen-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154889541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).