(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine

C20H25N5O — CID 57258690

IUPAC(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1cc2nnn(C)c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H25N5O/c1-25-18-11-15(19(26-2)12-17(18)23-24-25)13-22-16-9-6-10-21-20(16)14-7-4-3-5-8-14/h3-5,7-8,11-12,16,20-22H,6,9-10,13H2,1-2H3/t16-,20-/m0/s1
InChIKeyFJTFZTXHDHJQRF-JXFKEZNVSA-N
MW351.45 g/mol
LogP2.56
Rot. Bonds5

About (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 57258690) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine
PubChem CID57258690
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1cc2nnn(C)c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H25N5O/c1-25-18-11-15(19(26-2)12-17(18)23-24-25)13-22-16-9-6-10-21-20(16)14-7-4-3-5-8-14/h3-5,7-8,11-12,16,20-22H,6,9-10,13H2,1-2H3/t16-,20-/m0/s1
InChIKeyFJTFZTXHDHJQRF-JXFKEZNVSA-N
XLogP2.56
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67618812
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22106584
N-[[2-methoxy-5-(5-propyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 23203376
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22880695
N-[[2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22106506

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine (CID 57258690) is (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine is COc1cc2nnn(C)c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is FJTFZTXHDHJQRF-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H25N5O/c1-25-18-11-15(19(26-2)12-17(18)23-24-25)13-22-16-9-6-10-21-20(16)14-7-4-3-5-8-14/h3-5,7-8,11-12,16,20-22H,6,9-10,13H2,1-2H3/t16-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 351.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(6-methoxy-3-methylbenzotriazol-5-yl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 57258690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).