1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C14H21ClF2N2 — CID 119922702

IUPAC1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cccc(F)c2F)CC1.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-3-2-4-13(15)14(12)16;/h2-4,11,17H,5-10H2,1H3;1H
InChIKeyYJAAQCQGOGFAES-UHFFFAOYSA-N
MW290.78 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922702) has the molecular formula C14H21ClF2N2 and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922702
Molecular FormulaC14H21ClF2N2
Molecular Weight290.78 g/mol
Exact Mass290.14
IUPAC Name1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cccc(F)c2F)CC1.Cl
InChIInChI=1S/C14H20F2N2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-3-2-4-13(15)14(12)16;/h2-4,11,17H,5-10H2,1H3;1H
InChIKeyYJAAQCQGOGFAES-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 119922702) is 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2cccc(F)c2F)CC1.Cl.
What is the InChIKey of 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is YJAAQCQGOGFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-3-2-4-13(15)14(12)16;/h2-4,11,17H,5-10H2,1H3;1H.
What are the key properties of 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 290.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).