1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol

C15H31N3O — CID 61499979

IUPAC1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(CN1CCCCC1)NCC(O)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-14(12-17-7-3-2-4-8-17)16-11-15(19)13-18-9-5-6-10-18/h14-16,19H,2-13H2,1H3
InChIKeyLRJXCYLQQPCXSN-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

About 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 61499979) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID61499979
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(CN1CCCCC1)NCC(O)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-14(12-17-7-3-2-4-8-17)16-11-15(19)13-18-9-5-6-10-18/h14-16,19H,2-13H2,1H3
InChIKeyLRJXCYLQQPCXSN-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
CID 104891959
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831
1-(propan-2-ylamino)-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 61419499

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 61499979) is 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is CC(CN1CCCCC1)NCC(O)CN1CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LRJXCYLQQPCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(12-17-7-3-2-4-8-17)16-11-15(19)13-18-9-5-6-10-18/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 61499979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).