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

C16H34N4O — CID 79588323

IUPAC1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
SMILESCN(C)CCN1CCN(CCC2CCCC2(O)CN)CC1
InChIInChI=1S/C16H34N4O/c1-18(2)8-9-20-12-10-19(11-13-20)7-5-15-4-3-6-16(15,21)14-17/h15,21H,3-14,17H2,1-2H3
InChIKeyVBLDQIJBXQFGQZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.05
Rot. Bonds7

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

1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol (PubChem CID 79588323) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
PubChem CID79588323
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol
SMILESCN(C)CCN1CCN(CCC2CCCC2(O)CN)CC1
InChIInChI=1S/C16H34N4O/c1-18(2)8-9-20-12-10-19(11-13-20)7-5-15-4-3-6-16(15,21)14-17/h15,21H,3-14,17H2,1-2H3
InChIKeyVBLDQIJBXQFGQZ-UHFFFAOYSA-N
XLogP0.05
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79587968
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
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclohexan-1-amine
CID 79829186
1-(aminomethyl)-2-[2-[bis(cyclopropylmethyl)amino]ethyl]cyclopentan-1-ol
CID 79586819
2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
CID 79587643
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
2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 105365146
1-(aminomethyl)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentan-1-ol
CID 79586662

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol (CID 79588323) is 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol is CN(C)CCN1CCN(CCC2CCCC2(O)CN)CC1.
What is the InChIKey of 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol?
The InChIKey is VBLDQIJBXQFGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-18(2)8-9-20-12-10-19(11-13-20)7-5-15-4-3-6-16(15,21)14-17/h15,21H,3-14,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79588323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).