2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol

C14H31N3O — CID 64797300

IUPAC2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2)17-10-8-16(9-11-17)7-5-6-14(3,12-18)15-4/h13,15,18H,5-12H2,1-4H3
InChIKeyPQISXQPGUXRJKR-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol

2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol (PubChem CID 64797300) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
PubChem CID64797300
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2)17-10-8-16(9-11-17)7-5-6-14(3,12-18)15-4/h13,15,18H,5-12H2,1-4H3
InChIKeyPQISXQPGUXRJKR-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
CID 114540881
2-ethyl-2-(ethylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 106809289
2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
CID 79170912
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
CID 104961381
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol (CID 64797300) is 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol is CNC(C)(CO)CCCN1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol?
The InChIKey is PQISXQPGUXRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2)17-10-8-16(9-11-17)7-5-6-14(3,12-18)15-4/h13,15,18H,5-12H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol?
2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 64797300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).