3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol

C18H30N2O2 — CID 111381460

IUPAC3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCCOc1ccccc1CN1CCC(N(C)CCCO)CC1
InChIInChI=1S/C18H30N2O2/c1-3-22-18-8-5-4-7-16(18)15-20-12-9-17(10-13-20)19(2)11-6-14-21/h4-5,7-8,17,21H,3,6,9-15H2,1-2H3
InChIKeyIBGIYBLWTMCPSE-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.36
Rot. Bonds8

About 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol

3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol (PubChem CID 111381460) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
PubChem CID111381460
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCCOc1ccccc1CN1CCC(N(C)CCCO)CC1
InChIInChI=1S/C18H30N2O2/c1-3-22-18-8-5-4-7-16(18)15-20-12-9-17(10-13-20)19(2)11-6-14-21/h4-5,7-8,17,21H,3,6,9-15H2,1-2H3
InChIKeyIBGIYBLWTMCPSE-UHFFFAOYSA-N
XLogP2.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335431
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol (CID 111381460) is 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol is CCOc1ccccc1CN1CCC(N(C)CCCO)CC1.
What is the InChIKey of 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is IBGIYBLWTMCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-22-18-8-5-4-7-16(18)15-20-12-9-17(10-13-20)19(2)11-6-14-21/h4-5,7-8,17,21H,3,6,9-15H2,1-2H3.
What are the key properties of 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 111381460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).