3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol

C15H32N2O — CID 113492078

IUPAC3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCCCN1CCC(C(C)NCC(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-8-17-9-6-14(7-10-17)13(4)16-11-15(18)12(2)3/h12-16,18H,5-11H2,1-4H3
InChIKeyXGBWVXMQGVPLRO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.10
Rot. Bonds7

About 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol

3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol (PubChem CID 113492078) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
PubChem CID113492078
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
SMILESCCCN1CCC(C(C)NCC(O)C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-8-17-9-6-14(7-10-17)13(4)16-11-15(18)12(2)3/h12-16,18H,5-11H2,1-4H3
InChIKeyXGBWVXMQGVPLRO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
CID 106250980
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol (CID 113492078) is 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol is CCCN1CCC(C(C)NCC(O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol?
The InChIKey is XGBWVXMQGVPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-8-17-9-6-14(7-10-17)13(4)16-11-15(18)12(2)3/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol?
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 113492078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).