1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine

C14H21FN2O — CID 81113423

IUPAC1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2ccccc2OCCCF)C1
InChIInChI=1S/C14H21FN2O/c15-8-4-10-18-14-7-2-1-6-13(14)17-9-3-5-12(16)11-17/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyCXWARXWSAAZUDW-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine

1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine (PubChem CID 81113423) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine
PubChem CID81113423
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2ccccc2OCCCF)C1
InChIInChI=1S/C14H21FN2O/c15-8-4-10-18-14-7-2-1-6-13(14)17-9-3-5-12(16)11-17/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyCXWARXWSAAZUDW-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.35
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

1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]piperidin-3-amine
CID 103137218
1-[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]piperidin-3-amine
CID 107052280
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine
CID 115517958
1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
CID 114526504
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine
CID 64566158
1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
CID 83134821
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-amine
CID 43315583
1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
CID 114526497
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine (CID 81113423) is 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine is NC1CCCN(c2ccccc2OCCCF)C1.
What is the InChIKey of 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine?
The InChIKey is CXWARXWSAAZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-8-4-10-18-14-7-2-1-6-13(14)17-9-3-5-12(16)11-17/h1-2,6-7,12H,3-5,8-11,16H2.
What are the key properties of 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine?
1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 81113423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).