1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride

C15H22Cl2F2N2O — CID 119914801

IUPAC1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C15H21ClF2N2O.ClH/c1-19-8-11-3-2-6-20(9-11)10-12-7-13(16)4-5-14(12)21-15(17)18;/h4-5,7,11,15,19H,2-3,6,8-10H2,1H3;1H
InChIKeyPDNPOFIPYQHORU-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.79
Rot. Bonds6

About 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119914801) has the molecular formula C15H22Cl2F2N2O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119914801
Molecular FormulaC15H22Cl2F2N2O
Molecular Weight355.26 g/mol
Exact Mass354.11
IUPAC Name1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C15H21ClF2N2O.ClH/c1-19-8-11-3-2-6-20(9-11)10-12-7-13(16)4-5-14(12)21-15(17)18;/h4-5,7,11,15,19H,2-3,6,8-10H2,1H3;1H
InChIKeyPDNPOFIPYQHORU-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 60670160
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
(9aS)-2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839827
1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415
1-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120835764
1-[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120965928
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
1-[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263935

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119914801) is 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl.
What is the InChIKey of 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is PDNPOFIPYQHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF2N2O.ClH/c1-19-8-11-3-2-6-20(9-11)10-12-7-13(16)4-5-14(12)21-15(17)18;/h4-5,7,11,15,19H,2-3,6,8-10H2,1H3;1H.
What are the key properties of 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 355.26 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119914801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).