(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine

C14H23N3 — CID 118550630

IUPAC(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
SMILESN[C@@H]1C[C@H](N)CN(CCCc2ccccc2)C1
InChIInChI=1S/C14H23N3/c15-13-9-14(16)11-17(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15-16H2/t13-,14+
InChIKeyFIBBLXURFIBEIG-OKILXGFUSA-N
MW233.36 g/mol
LogP0.98
Rot. Bonds4

About (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine

(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine (PubChem CID 118550630) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
PubChem CID118550630
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
SMILESN[C@@H]1C[C@H](N)CN(CCCc2ccccc2)C1
InChIInChI=1S/C14H23N3/c15-13-9-14(16)11-17(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15-16H2/t13-,14+
InChIKeyFIBBLXURFIBEIG-OKILXGFUSA-N
XLogP0.98
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbutyl)azetidin-3-ol
CID 114334514
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
6-methyl-1-(3-phenylpropyl)piperidin-3-amine
CID 61238461
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 133113656
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine?
The IUPAC name of (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine (CID 118550630) is (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine.
What is the SMILES notation for (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine?
The canonical SMILES for (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine is N[C@@H]1C[C@H](N)CN(CCCc2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine?
The InChIKey is FIBBLXURFIBEIG-OKILXGFUSA-N. The full InChI is InChI=1S/C14H23N3/c15-13-9-14(16)11-17(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,15-16H2/t13-,14+.
What are the key properties of (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine?
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine is sourced from PubChem (CID 118550630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).