(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine

C21H28N2O — CID 10268178

IUPAC(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine
SMILESCC(C)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1
InChIKeyYYHNIYGFZBZAMA-FPOVZHCZSA-N
MW324.47 g/mol
LogP4.06
Rot. Bonds6

About (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine

(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine (PubChem CID 10268178) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine
PubChem CID10268178
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine
SMILESCC(C)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1
InChIKeyYYHNIYGFZBZAMA-FPOVZHCZSA-N
XLogP4.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine (CID 10268178) is (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine is CC(C)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
The InChIKey is YYHNIYGFZBZAMA-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine?
(2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine has a molecular weight of 324.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 10268178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).