1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol

C16H33N3O — CID 79587968

IUPAC1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol
SMILESCC(C)CN1CCN(CCC2CCCC2(O)CN)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)12-19-10-8-18(9-11-19)7-5-15-4-3-6-16(15,20)13-17/h14-15,20H,3-13,17H2,1-2H3
InChIKeyQIRIPHCVXAFUEO-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.14
Rot. Bonds6

About 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol (PubChem CID 79587968) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol
PubChem CID79587968
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol
SMILESCC(C)CN1CCN(CCC2CCCC2(O)CN)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)12-19-10-8-18(9-11-19)7-5-15-4-3-6-16(15,20)13-17/h14-15,20H,3-13,17H2,1-2H3
InChIKeyQIRIPHCVXAFUEO-UHFFFAOYSA-N
XLogP1.14
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79587379
1-(aminomethyl)-2-(2-piperidin-1-ylethyl)cyclopentan-1-ol
CID 79588233
1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79588323
1-(aminomethyl)-2-[2-(3-azaspiro[5.5]undecan-3-yl)ethyl]cyclopentan-1-ol
CID 79588118
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423
1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
CID 106450791
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 82768206
1-(aminomethyl)-2-[2-(3-ethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79586937
1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
CID 79587863
1-(aminomethyl)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79586964
1-(aminomethyl)-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentan-1-ol
CID 79587757
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol (CID 79587968) is 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol is CC(C)CN1CCN(CCC2CCCC2(O)CN)CC1.
What is the InChIKey of 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol?
The InChIKey is QIRIPHCVXAFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)12-19-10-8-18(9-11-19)7-5-15-4-3-6-16(15,20)13-17/h14-15,20H,3-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).