5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol

C16H33N3O — CID 64827442

IUPAC5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C16H33N3O/c1-3-17-16(2,14-20)7-4-8-18-9-11-19(12-10-18)13-15-5-6-15/h15,17,20H,3-14H2,1-2H3
InChIKeyCYXBFEGCXBFADR-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.15
Rot. Bonds9

About 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol

5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64827442) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64827442
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C16H33N3O/c1-3-17-16(2,14-20)7-4-8-18-9-11-19(12-10-18)13-15-5-6-15/h15,17,20H,3-14H2,1-2H3
InChIKeyCYXBFEGCXBFADR-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol (CID 64827442) is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCN1CCN(CC2CC2)CC1.
What is the InChIKey of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is CYXBFEGCXBFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-3-17-16(2,14-20)7-4-8-18-9-11-19(12-10-18)13-15-5-6-15/h15,17,20H,3-14H2,1-2H3.
What are the key properties of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol?
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64827442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).