1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol

C13H29N3O — CID 54960254

IUPAC1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(CN1CCCCC1)NCC(O)CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-16-7-5-4-6-8-16)14-9-13(17)11-15(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyAZIMWEAIOKCSRV-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol

1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 54960254) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID54960254
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCC(CN1CCCCC1)NCC(O)CN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-16-7-5-4-6-8-16)14-9-13(17)11-15(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyAZIMWEAIOKCSRV-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62991874
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol (CID 54960254) is 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol is CC(CN1CCCCC1)NCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is AZIMWEAIOKCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(10-16-7-5-4-6-8-16)14-9-13(17)11-15(2)3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol?
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 54960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).