2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol

C15H31N3O — CID 64828333

IUPAC2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
SMILESCN(C)CC1CCN(CC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C15H31N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-13(7-9-18)10-17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyKTXCJUMBZLQRSG-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.76
Rot. Bonds7

About 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol

2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol (PubChem CID 64828333) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
PubChem CID64828333
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
SMILESCN(C)CC1CCN(CC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C15H31N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-13(7-9-18)10-17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyKTXCJUMBZLQRSG-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
2-(cyclopropylamino)-2-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 64828276
3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64788398
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol (CID 64828333) is 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol is CN(C)CC1CCN(CC(C)(CO)NC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is KTXCJUMBZLQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(12-19,16-14-4-5-14)11-18-8-6-13(7-9-18)10-17(2)3/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 269.43 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-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 64828333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).