1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene

C18H22N2O — CID 174445442

IUPAC1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESNc1ccc(CN2CCC(O)CC2)cc1.c1cc2ccc1-2
InChIInChI=1S/C12H18N2O.C6H4/c13-11-3-1-10(2-4-11)9-14-7-5-12(15)6-8-14;1-2-6-4-3-5(1)6/h1-4,12,15H,5-9,13H2;1-4H
InChIKeyDJUADSPPXRBBNO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.89
Rot. Bonds2

About 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene

1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174445442) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174445442
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
SMILESNc1ccc(CN2CCC(O)CC2)cc1.c1cc2ccc1-2
InChIInChI=1S/C12H18N2O.C6H4/c13-11-3-1-10(2-4-11)9-14-7-5-12(15)6-8-14;1-2-6-4-3-5(1)6/h1-4,12,15H,5-9,13H2;1-4H
InChIKeyDJUADSPPXRBBNO-UHFFFAOYSA-N
XLogP2.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173
1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
CID 69336944
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-4-ol
CID 126674939
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene (CID 174445442) is 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene is Nc1ccc(CN2CCC(O)CC2)cc1.c1cc2ccc1-2.
What is the InChIKey of 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is DJUADSPPXRBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C6H4/c13-11-3-1-10(2-4-11)9-14-7-5-12(15)6-8-14;1-2-6-4-3-5(1)6/h1-4,12,15H,5-9,13H2;1-4H.
What are the key properties of 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene?
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 282.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174445442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).