(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride

C12H22ClN3 — CID 71637497

IUPAC(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
SMILESCC(c1ccc[nH]1)N(C)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H21N3.ClH/c1-10(12-6-4-8-14-12)15(2)11-5-3-7-13-9-11;/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3;1H/t10?,11-;/m1./s1
InChIKeyXLJYAHRABYSNPL-PSDUUTOMSA-N
MW243.78 g/mol
LogP2.18
Rot. Bonds3

About (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride

(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride (PubChem CID 71637497) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
PubChem CID71637497
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
SMILESCC(c1ccc[nH]1)N(C)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H21N3.ClH/c1-10(12-6-4-8-14-12)15(2)11-5-3-7-13-9-11;/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3;1H/t10?,11-;/m1./s1
InChIKeyXLJYAHRABYSNPL-PSDUUTOMSA-N
XLogP2.18
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
(3R)-3-[(1S)-1-(1H-pyrrol-2-yl)ethoxy]piperidine
CID 97162337
N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
CID 63644044
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
CID 63643683
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 64990579
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride (CID 71637497) is (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride is CC(c1ccc[nH]1)N(C)[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride?
The InChIKey is XLJYAHRABYSNPL-PSDUUTOMSA-N. The full InChI is InChI=1S/C12H21N3.ClH/c1-10(12-6-4-8-14-12)15(2)11-5-3-7-13-9-11;/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3;1H/t10?,11-;/m1./s1.
What are the key properties of (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride?
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71637497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).