1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine

C19H30N2O3 — CID 141150970

IUPAC1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CN2CCC(N)CC2)cc(OC2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-2-23-18-11-15(14-21-7-3-16(20)4-8-21)12-19(13-18)24-17-5-9-22-10-6-17/h11-13,16-17H,2-10,14,20H2,1H3
InChIKeyPNQAFKUESQJGKY-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.57
Rot. Bonds6

About 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine

1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine (PubChem CID 141150970) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine
PubChem CID141150970
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CN2CCC(N)CC2)cc(OC2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-2-23-18-11-15(14-21-7-3-16(20)4-8-21)12-19(13-18)24-17-5-9-22-10-6-17/h11-13,16-17H,2-10,14,20H2,1H3
InChIKeyPNQAFKUESQJGKY-UHFFFAOYSA-N
XLogP2.57
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
3-(oxan-4-yloxy)-5-propoxyaniline
CID 80748850
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
4-[[3-[3-chloro-5-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]morpholine
CID 68618873
4-amino-2-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 68779068
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220
3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
CID 81150307
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644
[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
CID 103565975
2-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl-piperidin-4-ylamino]-1,3-benzoxazole-5-sulfonamide
CID 69457001

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine (CID 141150970) is 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine is CCOc1cc(CN2CCC(N)CC2)cc(OC2CCOCC2)c1.
What is the InChIKey of 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is PNQAFKUESQJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-23-18-11-15(14-21-7-3-16(20)4-8-21)12-19(13-18)24-17-5-9-22-10-6-17/h11-13,16-17H,2-10,14,20H2,1H3.
What are the key properties of 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine?
1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 334.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 141150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).