N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine

C11H17ClN2S — CID 79420660

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyMQLDETSQKQFNOB-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.59
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine

N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine (PubChem CID 79420660) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
PubChem CID79420660
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyMQLDETSQKQFNOB-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
ethyl 4-[(4-chlorothiophen-2-yl)methylamino]cyclohexane-1-carboxylate
CID 79419998
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
tert-butyl 4-[(4-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107166945
N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79426608
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79419388
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine (CID 79420660) is N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cc(Cl)cs2)CC1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is MQLDETSQKQFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-14-4-2-10(3-5-14)13-7-11-6-9(12)8-15-11/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 244.79 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 79420660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).