2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol

C15H29N3O — CID 64827441

IUPAC2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)(CN1CCN(CC2CC2)CC1)NC1CC1
InChIInChI=1S/C15H29N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-17(7-9-18)10-13-2-3-13/h13-14,16,19H,2-12H2,1H3
InChIKeyNOXGEODSRFQTPS-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.52
Rot. Bonds7

About 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol

2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 64827441) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID64827441
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)(CN1CCN(CC2CC2)CC1)NC1CC1
InChIInChI=1S/C15H29N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-17(7-9-18)10-13-2-3-13/h13-14,16,19H,2-12H2,1H3
InChIKeyNOXGEODSRFQTPS-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64788398
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
2-(cyclopropylamino)-2-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 64828276
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methylbutan-1-ol
CID 62265497
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64827442
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol (CID 64827441) is 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol is CC(CO)(CN1CCN(CC2CC2)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is NOXGEODSRFQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-17(7-9-18)10-13-2-3-13/h13-14,16,19H,2-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 64827441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).