3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline

C16H25N3 — CID 61344824

IUPAC3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(CC3CCCC3)CC2)c1
InChIInChI=1S/C16H25N3/c17-15-6-3-7-16(12-15)19-10-8-18(9-11-19)13-14-4-1-2-5-14/h3,6-7,12,14H,1-2,4-5,8-11,13,17H2
InChIKeyDUGJQUUATOZSIS-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds3

About 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline

3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline (PubChem CID 61344824) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
PubChem CID61344824
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(CC3CCCC3)CC2)c1
InChIInChI=1S/C16H25N3/c17-15-6-3-7-16(12-15)19-10-8-18(9-11-19)13-14-4-1-2-5-14/h3,6-7,12,14H,1-2,4-5,8-11,13,17H2
InChIKeyDUGJQUUATOZSIS-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 103134978
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
5-[2-[4-(3-aminophenyl)piperazin-1-yl]ethyl]-4-(cyclohexylmethyl)-2-methyl-1,2,4-triazol-3-one
CID 59536468
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
[4-[[4-(3-aminophenyl)piperazin-1-yl]methyl]-2-tert-butylcyclohexyl]carbamic acid
CID 174235485
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
1-[2-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanone
CID 104612490

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline?
The IUPAC name of 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline (CID 61344824) is 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline is Nc1cccc(N2CCN(CC3CCCC3)CC2)c1.
What is the InChIKey of 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline?
The InChIKey is DUGJQUUATOZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-15-6-3-7-16(12-15)19-10-8-18(9-11-19)13-14-4-1-2-5-14/h3,6-7,12,14H,1-2,4-5,8-11,13,17H2.
What are the key properties of 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline?
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline has a molecular weight of 259.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 61344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).