[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

C13H20ClFN2 — CID 119916113

IUPAC[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H
InChIKeyLYCBQUXESRSRIN-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.56
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119916113) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119916113
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H
InChIKeyLYCBQUXESRSRIN-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 104973692
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119916113) is [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is LYCBQUXESRSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H.
What are the key properties of [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119916113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).