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

C14H21ClF2N2O — CID 119909783

IUPAC[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H20F2N2O.ClH/c15-14(16)19-13-4-2-1-3-12(13)10-18-7-5-11(9-17)6-8-18;/h1-4,11,14H,5-10,17H2;1H
InChIKeyBHRYVFBZLXSCKG-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.88
Rot. Bonds5

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

[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909783) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909783
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC Name[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C14H20F2N2O.ClH/c15-14(16)19-13-4-2-1-3-12(13)10-18-7-5-11(9-17)6-8-18;/h1-4,11,14H,5-10,17H2;1H
InChIKeyBHRYVFBZLXSCKG-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904
(8aS)-4-benzhydryl-2-[[2-(difluoromethoxy)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 70019584
4-benzhydryl-2-[[2-(difluoromethoxy)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 22674931

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride (CID 119909783) is [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2ccccc2OC(F)F)CC1.
What is the InChIKey of [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is BHRYVFBZLXSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c15-14(16)19-13-4-2-1-3-12(13)10-18-7-5-11(9-17)6-8-18;/h1-4,11,14H,5-10,17H2;1H.
What are the key properties of [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).