3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride

C14H23Cl2FN2 — CID 18326605

IUPAC3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2.2ClH/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16;;/h2-5,13H,1,6-11,16H2;2*1H
InChIKeyNBFTWKSIHIRSDQ-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.20
Rot. Bonds4

About 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride

3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride (PubChem CID 18326605) has the molecular formula C14H23Cl2FN2 and a molecular weight of 309.26 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
PubChem CID18326605
Molecular FormulaC14H23Cl2FN2
Molecular Weight309.26 g/mol
Exact Mass308.12
IUPAC Name3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2.2ClH/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16;;/h2-5,13H,1,6-11,16H2;2*1H
InChIKeyNBFTWKSIHIRSDQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride
CID 18326590
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770
3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
CID 67691459
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine
CID 138735134
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol
CID 139779953
3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride (CID 18326605) is 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride is Cl.Cl.NCCCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride?
The InChIKey is NBFTWKSIHIRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.2ClH/c15-14-4-2-12(3-5-14)13-6-10-17(11-7-13)9-1-8-16;;/h2-5,13H,1,6-11,16H2;2*1H.
What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride?
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride has a molecular weight of 309.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 18326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).