(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride

C11H19ClN2S — CID 71637623

IUPAC(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
SMILESCC(N[C@@H]1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-9(11-5-3-7-14-11)13-10-4-2-6-12-8-10;/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3;1H/t9?,10-;/m1./s1
InChIKeyMNRHMBOPVXNRQQ-FJYJDOHQSA-N
MW246.81 g/mol
LogP2.57
Rot. Bonds3

About (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride

(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride (PubChem CID 71637623) has the molecular formula C11H19ClN2S and a molecular weight of 246.81 g/mol. Its IUPAC name is (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
PubChem CID71637623
Molecular FormulaC11H19ClN2S
Molecular Weight246.81 g/mol
Exact Mass246.10
IUPAC Name(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
SMILESCC(N[C@@H]1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C11H18N2S.ClH/c1-9(11-5-3-7-14-11)13-10-4-2-6-12-8-10;/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3;1H/t9?,10-;/m1./s1
InChIKeyMNRHMBOPVXNRQQ-FJYJDOHQSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
4-[[(1S)-1-thiophen-2-ylethyl]amino]azepan-2-one
CID 81409038
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride (CID 71637623) is (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride is CC(N[C@@H]1CCCNC1)c1cccs1.Cl.
What is the InChIKey of (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride?
The InChIKey is MNRHMBOPVXNRQQ-FJYJDOHQSA-N. The full InChI is InChI=1S/C11H18N2S.ClH/c1-9(11-5-3-7-14-11)13-10-4-2-6-12-8-10;/h3,5,7,9-10,12-13H,2,4,6,8H2,1H3;1H/t9?,10-;/m1./s1.
What are the key properties of (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride?
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride has a molecular weight of 246.81 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71637623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).