(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H27F2N3O — CID 171359272

IUPAC(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESFc1ccc(N2CCC(N[C@@H]3COC4(CCNCC4)C3)CC2)cc1F
InChIInChI=1S/C19H27F2N3O/c20-17-2-1-16(11-18(17)21)24-9-3-14(4-10-24)23-15-12-19(25-13-15)5-7-22-8-6-19/h1-2,11,14-15,22-23H,3-10,12-13H2/t15-/m0/s1
InChIKeyDBPOZNUSNUXHHA-HNNXBMFYSA-N
MW351.44 g/mol
LogP2.43
Rot. Bonds3

About (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 171359272) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID171359272
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC Name(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESFc1ccc(N2CCC(N[C@@H]3COC4(CCNCC4)C3)CC2)cc1F
InChIInChI=1S/C19H27F2N3O/c20-17-2-1-16(11-18(17)21)24-9-3-14(4-10-24)23-15-12-19(25-13-15)5-7-22-8-6-19/h1-2,11,14-15,22-23H,3-10,12-13H2/t15-/m0/s1
InChIKeyDBPOZNUSNUXHHA-HNNXBMFYSA-N
XLogP2.43
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 171359272) is (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine is Fc1ccc(N2CCC(N[C@@H]3COC4(CCNCC4)C3)CC2)cc1F.
What is the InChIKey of (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is DBPOZNUSNUXHHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c20-17-2-1-16(11-18(17)21)24-9-3-14(4-10-24)23-15-12-19(25-13-15)5-7-22-8-6-19/h1-2,11,14-15,22-23H,3-10,12-13H2/t15-/m0/s1.
What are the key properties of (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 351.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3,4-difluorophenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 171359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).