(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine

C19H30N2O2 — CID 97322572

IUPAC(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine
SMILESCC[C@H](N[C@@H]1CCCN(c2ccccc2OC)C1)[C@@H]1CCOC1
InChIInChI=1S/C19H30N2O2/c1-3-17(15-10-12-23-14-15)20-16-7-6-11-21(13-16)18-8-4-5-9-19(18)22-2/h4-5,8-9,15-17,20H,3,6-7,10-14H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyGAGWBBBUQOSSBC-ZACQAIPSSA-N
MW318.46 g/mol
LogP3.07
Rot. Bonds6

About (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine

(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine (PubChem CID 97322572) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine
PubChem CID97322572
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine
SMILESCC[C@H](N[C@@H]1CCCN(c2ccccc2OC)C1)[C@@H]1CCOC1
InChIInChI=1S/C19H30N2O2/c1-3-17(15-10-12-23-14-15)20-16-7-6-11-21(13-16)18-8-4-5-9-19(18)22-2/h4-5,8-9,15-17,20H,3,6-7,10-14H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyGAGWBBBUQOSSBC-ZACQAIPSSA-N
XLogP3.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine (CID 97322572) is (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine is CC[C@H](N[C@@H]1CCCN(c2ccccc2OC)C1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine?
The InChIKey is GAGWBBBUQOSSBC-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-17(15-10-12-23-14-15)20-16-7-6-11-21(13-16)18-8-4-5-9-19(18)22-2/h4-5,8-9,15-17,20H,3,6-7,10-14H2,1-2H3/t15-,16-,17+/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine?
(3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine has a molecular weight of 318.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyphenyl)-N-[(1S)-1-[(3S)-oxolan-3-yl]propyl]piperidin-3-amine is sourced from PubChem (CID 97322572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).