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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Related Compounds

N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 79493806
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
N-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 79713906
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458

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).