4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol

C14H28N2O2 — CID 81130595

IUPAC4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCCN1CCC(NCC2(O)CCOCC2)CC1
InChIInChI=1S/C14H28N2O2/c1-2-7-16-8-3-13(4-9-16)15-12-14(17)5-10-18-11-6-14/h13,15,17H,2-12H2,1H3
InChIKeyWEZQVMSYCNWNFA-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds5

About 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol

4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 81130595) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID81130595
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
SMILESCCCN1CCC(NCC2(O)CCOCC2)CC1
InChIInChI=1S/C14H28N2O2/c1-2-7-16-8-3-13(4-9-16)15-12-14(17)5-10-18-11-6-14/h13,15,17H,2-12H2,1H3
InChIKeyWEZQVMSYCNWNFA-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115554
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131022
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
CID 106099920
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
CID 81131365
4-[(cyclopropylamino)methyl]-1-ethylpiperidin-4-ol
CID 39240029
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol (CID 81130595) is 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol is CCCN1CCC(NCC2(O)CCOCC2)CC1.
What is the InChIKey of 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is WEZQVMSYCNWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-7-16-8-3-13(4-9-16)15-12-14(17)5-10-18-11-6-14/h13,15,17H,2-12H2,1H3.
What are the key properties of 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).