N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride

C18H27ClF2N2 — CID 119932338

IUPACN-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.Fc1ccc(F)c(CN(CC2CCNCC2)C2CCCC2)c1
InChIInChI=1S/C18H26F2N2.ClH/c19-16-5-6-18(20)15(11-16)13-22(17-3-1-2-4-17)12-14-7-9-21-10-8-14;/h5-6,11,14,17,21H,1-4,7-10,12-13H2;1H
InChIKeyJASGDCGKEDEFSX-UHFFFAOYSA-N
MW344.88 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride

N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride (PubChem CID 119932338) has the molecular formula C18H27ClF2N2 and a molecular weight of 344.88 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
PubChem CID119932338
Molecular FormulaC18H27ClF2N2
Molecular Weight344.88 g/mol
Exact Mass344.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
SMILESCl.Fc1ccc(F)c(CN(CC2CCNCC2)C2CCCC2)c1
InChIInChI=1S/C18H26F2N2.ClH/c19-16-5-6-18(20)15(11-16)13-22(17-3-1-2-4-17)12-14-7-9-21-10-8-14;/h5-6,11,14,17,21H,1-4,7-10,12-13H2;1H
InChIKeyJASGDCGKEDEFSX-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
3-cyclohexyl-1-[(2,5-difluorophenyl)methyl]-1-(piperidin-4-ylmethyl)urea
CID 86300062
2-[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 78995782
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-4-fluorophenol
CID 107699302
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride (CID 119932338) is N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride is Cl.Fc1ccc(F)c(CN(CC2CCNCC2)C2CCCC2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride?
The InChIKey is JASGDCGKEDEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2.ClH/c19-16-5-6-18(20)15(11-16)13-22(17-3-1-2-4-17)12-14-7-9-21-10-8-14;/h5-6,11,14,17,21H,1-4,7-10,12-13H2;1H.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride?
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride is sourced from PubChem (CID 119932338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).