[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine

C18H29N3 — CID 117464200

IUPAC[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
SMILESCN1CCN(Cc2ccc(C3(CN)CCCC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-20-10-12-21(13-11-20)14-16-4-6-17(7-5-16)18(15-19)8-2-3-9-18/h4-7H,2-3,8-15,19H2,1H3
InChIKeyNMIPLMRZEPNLRN-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.20
Rot. Bonds4

About [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine

[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine (PubChem CID 117464200) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
PubChem CID117464200
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
SMILESCN1CCN(Cc2ccc(C3(CN)CCCC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-20-10-12-21(13-11-20)14-16-4-6-17(7-5-16)18(15-19)8-2-3-9-18/h4-7H,2-3,8-15,19H2,1H3
InChIKeyNMIPLMRZEPNLRN-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine
CID 117403046
2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine (CID 117464200) is [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine is CN1CCN(Cc2ccc(C3(CN)CCCC3)cc2)CC1.
What is the InChIKey of [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine?
The InChIKey is NMIPLMRZEPNLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-10-12-21(13-11-20)14-16-4-6-17(7-5-16)18(15-19)8-2-3-9-18/h4-7H,2-3,8-15,19H2,1H3.
What are the key properties of [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine?
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117464200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).