3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol

C16H34N2O — CID 65105569

IUPAC3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCCN1CCCC(C(C)NCC(O)(CC)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-10-18-11-8-9-15(12-18)14(4)17-13-16(19,6-2)7-3/h14-15,17,19H,5-13H2,1-4H3
InChIKeyNMYMQQITRKFYMH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol

3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 65105569) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
PubChem CID65105569
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCCN1CCCC(C(C)NCC(O)(CC)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-10-18-11-8-9-15(12-18)14(4)17-13-16(19,6-2)7-3/h14-15,17,19H,5-13H2,1-4H3
InChIKeyNMYMQQITRKFYMH-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N,2,2-trimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propanamide
CID 106275512
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N-[2-methyl-1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859843
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
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
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol (CID 65105569) is 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol is CCCN1CCCC(C(C)NCC(O)(CC)CC)C1.
What is the InChIKey of 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is NMYMQQITRKFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-18-11-8-9-15(12-18)14(4)17-13-16(19,6-2)7-3/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol?
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65105569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).