(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride

C10H16Cl2N2S — CID 120845906

IUPAC(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccsc2Cl)C1
InChIInChI=1S/C10H15ClN2S.ClH/c11-10-8(3-5-14-10)6-13-4-1-2-9(12)7-13;/h3,5,9H,1-2,4,6-7,12H2;1H/t9-;/m1./s1
InChIKeyCWLLEJCQBGQMSS-SBSPUUFOSA-N
MW267.22 g/mol
LogP2.75
Rot. Bonds2

About (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride

(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120845906) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120845906
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccsc2Cl)C1
InChIInChI=1S/C10H15ClN2S.ClH/c11-10-8(3-5-14-10)6-13-4-1-2-9(12)7-13;/h3,5,9H,1-2,4,6-7,12H2;1H/t9-;/m1./s1
InChIKeyCWLLEJCQBGQMSS-SBSPUUFOSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
3-[(2-chlorothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841988
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride (CID 120845906) is (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(Cc2ccsc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is CWLLEJCQBGQMSS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c11-10-8(3-5-14-10)6-13-4-1-2-9(12)7-13;/h3,5,9H,1-2,4,6-7,12H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 267.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120845906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).