3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol

C18H30N2O3 — CID 110535672

IUPAC3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cc(N)c(OC(C)C)c(OC)c2)C1
InChIInChI=1S/C18H30N2O3/c1-5-20-7-6-16(21)14(11-20)8-13-9-15(19)18(23-12(2)3)17(10-13)22-4/h9-10,12,14,16,21H,5-8,11,19H2,1-4H3
InChIKeyYKKJBVDDHPWAME-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.31
Rot. Bonds6

About 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110535672) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110535672
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cc(N)c(OC(C)C)c(OC)c2)C1
InChIInChI=1S/C18H30N2O3/c1-5-20-7-6-16(21)14(11-20)8-13-9-15(19)18(23-12(2)3)17(10-13)22-4/h9-10,12,14,16,21H,5-8,11,19H2,1-4H3
InChIKeyYKKJBVDDHPWAME-UHFFFAOYSA-N
XLogP2.31
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536604
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110539475
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110535672) is 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)C(Cc2cc(N)c(OC(C)C)c(OC)c2)C1.
What is the InChIKey of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is YKKJBVDDHPWAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-20-7-6-16(21)14(11-20)8-13-9-15(19)18(23-12(2)3)17(10-13)22-4/h9-10,12,14,16,21H,5-8,11,19H2,1-4H3.
What are the key properties of 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 322.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).