[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

C14H21ClF2N2 — CID 120836624

IUPAC[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C14H20F2N2.ClH/c15-14(16)13-5-3-11(4-6-13)9-18-7-1-2-12(8-17)10-18;/h3-6,12,14H,1-2,7-10,17H2;1H
InChIKeyMPUMLLVZHCXOQI-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.22
Rot. Bonds4

About [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 120836624) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID120836624
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC Name[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(C(F)F)cc2)C1
InChIInChI=1S/C14H20F2N2.ClH/c15-14(16)13-5-3-11(4-6-13)9-18-7-1-2-12(8-17)10-18;/h3-6,12,14H,1-2,7-10,17H2;1H
InChIKeyMPUMLLVZHCXOQI-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
(1-benzylazepan-3-yl)methanamine
CID 15718476
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
1-[[4-(difluoromethyl)phenyl]methyl]azetidin-3-amine
CID 115524640
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (CID 120836624) is [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(Cc2ccc(C(F)F)cc2)C1.
What is the InChIKey of [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is MPUMLLVZHCXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c15-14(16)13-5-3-11(4-6-13)9-18-7-1-2-12(8-17)10-18;/h3-6,12,14H,1-2,7-10,17H2;1H.
What are the key properties of [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120836624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).