1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine

C17H21ClN2S — CID 29275585

IUPAC1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H21ClN2S/c18-17-7-6-16(21-17)12-19-15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,19H,8-13H2
InChIKeyTZFATRFFOGUGGS-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.16
Rot. Bonds5

About 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine

1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 29275585) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
PubChem CID29275585
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C17H21ClN2S/c18-17-7-6-16(21-17)12-19-15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,19H,8-13H2
InChIKeyTZFATRFFOGUGGS-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine (CID 29275585) is 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine is Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is TZFATRFFOGUGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c18-17-7-6-16(21-17)12-19-15-8-10-20(11-9-15)13-14-4-2-1-3-5-14/h1-7,15,19H,8-13H2.
What are the key properties of 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine?
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 320.89 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 29275585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).