3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine

C23H35N3 — CID 19079346

IUPAC3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
SMILESCCCN.NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N2.C3H9N/c21-14-7-15-22-16-12-20(13-17-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19;1-2-3-4/h1-6,8-11H,7,12-17,21H2;2-4H2,1H3
InChIKeyRVQQHLBDDNPPOM-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.77
Rot. Bonds6

About 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine

3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine (PubChem CID 19079346) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine.

Molecular Properties

Compound Name3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
PubChem CID19079346
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
SMILESCCCN.NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N2.C3H9N/c21-14-7-15-22-16-12-20(13-17-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19;1-2-3-4/h1-6,8-11H,7,12-17,21H2;2-4H2,1H3
InChIKeyRVQQHLBDDNPPOM-UHFFFAOYSA-N
XLogP3.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine?
The IUPAC name of 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine (CID 19079346) is 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine.
What is the SMILES notation for 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine?
The canonical SMILES for 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine is CCCN.NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine?
The InChIKey is RVQQHLBDDNPPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.C3H9N/c21-14-7-15-22-16-12-20(13-17-22,18-8-3-1-4-9-18)19-10-5-2-6-11-19;1-2-3-4/h1-6,8-11H,7,12-17,21H2;2-4H2,1H3.
What are the key properties of 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine?
3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine is sourced from PubChem (CID 19079346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).