(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine

C19H25N3O2 — CID 91370032

IUPAC(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccnc(OC)c1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-23-17-10-12-21-19(24-2)15(17)13-22-16-9-6-11-20-18(16)14-7-4-3-5-8-14/h3-5,7-8,10,12,16,18,20,22H,6,9,11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyFOQABHHFJWGKDF-WMZOPIPTSA-N
MW327.43 g/mol
LogP2.68
Rot. Bonds6

About (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 91370032) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID91370032
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccnc(OC)c1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-23-17-10-12-21-19(24-2)15(17)13-22-16-9-6-11-20-18(16)14-7-4-3-5-8-14/h3-5,7-8,10,12,16,18,20,22H,6,9,11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyFOQABHHFJWGKDF-WMZOPIPTSA-N
XLogP2.68
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-[(4,6-diethoxy-2-methoxypyrimidin-5-yl)methyl]-2-phenylpiperidin-3-amine
CID 90859431
(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-ethoxy-4-methoxy-6-propan-2-yloxypyrimidin-5-yl)methyl]-2-phenylpiperidin-3-amine
CID 91527467
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[[2,4-dimethoxy-6-[(3R)-oxolan-3-yl]oxypyrimidin-5-yl]methyl]-2-phenylpiperidin-3-amine
CID 90716839
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine (CID 91370032) is (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine is COc1ccnc(OC)c1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is FOQABHHFJWGKDF-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-17-10-12-21-19(24-2)15(17)13-22-16-9-6-11-20-18(16)14-7-4-3-5-8-14/h3-5,7-8,10,12,16,18,20,22H,6,9,11,13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2,4-dimethoxy-3-pyridinyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 91370032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).