(3R)-1-(3-phenoxypropyl)piperidin-3-amine

C14H22N2O — CID 102977310

IUPAC(3R)-1-(3-phenoxypropyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c15-13-6-4-9-16(12-13)10-5-11-17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,15H2/t13-/m1/s1
InChIKeyZNVLCQUIRBLDCG-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds5

About (3R)-1-(3-phenoxypropyl)piperidin-3-amine

(3R)-1-(3-phenoxypropyl)piperidin-3-amine (PubChem CID 102977310) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-1-(3-phenoxypropyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-phenoxypropyl)piperidin-3-amine
PubChem CID102977310
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R)-1-(3-phenoxypropyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c15-13-6-4-9-16(12-13)10-5-11-17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,15H2/t13-/m1/s1
InChIKeyZNVLCQUIRBLDCG-CYBMUJFWSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
4-[3-(3-aminopyrrolidin-1-yl)propoxy]benzonitrile
CID 67132046
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428
(1S,5R)-3-(4-phenoxybutyl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154908285

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-phenoxypropyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3-phenoxypropyl)piperidin-3-amine (CID 102977310) is (3R)-1-(3-phenoxypropyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-phenoxypropyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3-phenoxypropyl)piperidin-3-amine is N[C@@H]1CCCN(CCCOc2ccccc2)C1.
What is the InChIKey of (3R)-1-(3-phenoxypropyl)piperidin-3-amine?
The InChIKey is ZNVLCQUIRBLDCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-6-4-9-16(12-13)10-5-11-17-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12,15H2/t13-/m1/s1.
What are the key properties of (3R)-1-(3-phenoxypropyl)piperidin-3-amine?
(3R)-1-(3-phenoxypropyl)piperidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-phenoxypropyl)piperidin-3-amine is sourced from PubChem (CID 102977310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).