[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C19H29ClN2O2 — CID 171687618

IUPAC[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCO[C@H]1CCCN(C(=O)C2CCNCC2)[C@H]1Cc1ccccc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-18-8-5-13-21(19(22)16-9-11-20-12-10-16)17(18)14-15-6-3-2-4-7-15;/h2-4,6-7,16-18,20H,5,8-14H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyIYXSCPNKELUFFA-APTPAJQOSA-N
MW352.91 g/mol
LogP2.66
Rot. Bonds4

About [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 171687618) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID171687618
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCO[C@H]1CCCN(C(=O)C2CCNCC2)[C@H]1Cc1ccccc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-18-8-5-13-21(19(22)16-9-11-20-12-10-16)17(18)14-15-6-3-2-4-7-15;/h2-4,6-7,16-18,20H,5,8-14H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyIYXSCPNKELUFFA-APTPAJQOSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;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

[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone
CID 155877664
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
4-(azepane-4-carbonyl)-1-benzylpiperazin-2-one;hydrochloride
CID 154903014
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 171687618) is [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is CO[C@H]1CCCN(C(=O)C2CCNCC2)[C@H]1Cc1ccccc1.Cl.
What is the InChIKey of [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is IYXSCPNKELUFFA-APTPAJQOSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-23-18-8-5-13-21(19(22)16-9-11-20-12-10-16)17(18)14-15-6-3-2-4-7-15;/h2-4,6-7,16-18,20H,5,8-14H2,1H3;1H/t17-,18-;/m0./s1.
What are the key properties of [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 171687618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).