N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C14H24N2S — CID 62210978

IUPACN-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCN(CCCC1CCNCC1)Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(12-14-5-3-11-17-14)10-2-4-13-6-8-15-9-7-13/h3,5,11,13,15H,2,4,6-10,12H2,1H3
InChIKeyBZIDYDDWHMKSSO-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds6

About N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62210978) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62210978
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCN(CCCC1CCNCC1)Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(12-14-5-3-11-17-14)10-2-4-13-6-8-15-9-7-13/h3,5,11,13,15H,2,4,6-10,12H2,1H3
InChIKeyBZIDYDDWHMKSSO-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62210978) is N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is CN(CCCC1CCNCC1)Cc1cccs1.
What is the InChIKey of N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is BZIDYDDWHMKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-16(12-14-5-3-11-17-14)10-2-4-13-6-8-15-9-7-13/h3,5,11,13,15H,2,4,6-10,12H2,1H3.
What are the key properties of N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62210978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).