3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

C16H33N3O — CID 64788217

IUPAC3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)17-16(3,13-20)12-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3
InChIKeyKYHFIEHXKXMLKP-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.30
Rot. Bonds6

About 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64788217) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64788217
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)17-16(3,13-20)12-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3
InChIKeyKYHFIEHXKXMLKP-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64790692
1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335773
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
CID 64795801
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64826851
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788594
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64788383
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propan-2-ylamino)propan-1-ol
CID 81205687

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64788217) is 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is KYHFIEHXKXMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)17-16(3,13-20)12-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64788217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).