2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol

C15H32N2O — CID 113293730

IUPAC2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
SMILESCCCN1CCCC(C(C)NCC(C)(C)CO)C1
InChIInChI=1S/C15H32N2O/c1-5-8-17-9-6-7-14(10-17)13(2)16-11-15(3,4)12-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyRGOPVAMTOIZHRD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds7

About 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol

2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol (PubChem CID 113293730) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
PubChem CID113293730
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
SMILESCCCN1CCCC(C(C)NCC(C)(C)CO)C1
InChIInChI=1S/C15H32N2O/c1-5-8-17-9-6-7-14(10-17)13(2)16-11-15(3,4)12-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyRGOPVAMTOIZHRD-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
N,2,2-trimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propanamide
CID 106275512
N-[2-methyl-1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859843
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
CID 107247379
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
3-propan-2-yloxy-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-1-amine
CID 43308556
N-(oxan-4-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 63726467

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol (CID 113293730) is 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol is CCCN1CCCC(C(C)NCC(C)(C)CO)C1.
What is the InChIKey of 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
The InChIKey is RGOPVAMTOIZHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-8-17-9-6-7-14(10-17)13(2)16-11-15(3,4)12-18/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol?
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 113293730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).