(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine

C23H26N2O2 — CID 10522676

IUPAC(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1
InChIKeyDZDZTLWCMKUMLO-REWPJTCUSA-N
MW362.47 g/mol
LogP4.54
Rot. Bonds6

About (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 10522676) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID10522676
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-c2ccco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1
InChIKeyDZDZTLWCMKUMLO-REWPJTCUSA-N
XLogP4.54
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine (CID 10522676) is (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-c2ccco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is DZDZTLWCMKUMLO-REWPJTCUSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1.
What are the key properties of (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 362.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[5-(furan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10522676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).