1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol

C17H27N3O — CID 154724497

IUPAC1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
SMILESCN1CCN(c2ccc(CN3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-4-2-15(3-5-16)14-19-8-6-17(21)7-9-19/h2-5,17,21H,6-14H2,1H3
InChIKeyGLPBEDYAOLQNDE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.40
Rot. Bonds3

About 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol

1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol (PubChem CID 154724497) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
PubChem CID154724497
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
SMILESCN1CCN(c2ccc(CN3CCC(O)CC3)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-4-2-15(3-5-16)14-19-8-6-17(21)7-9-19/h2-5,17,21H,6-14H2,1H3
InChIKeyGLPBEDYAOLQNDE-UHFFFAOYSA-N
XLogP1.40
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid
CID 175592709
N-methyl-N-[[6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine
CID 166199352
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 86300184
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol (CID 154724497) is 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol is CN1CCN(c2ccc(CN3CCC(O)CC3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol?
The InChIKey is GLPBEDYAOLQNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-4-2-15(3-5-16)14-19-8-6-17(21)7-9-19/h2-5,17,21H,6-14H2,1H3.
What are the key properties of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol?
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol has a molecular weight of 289.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 154724497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).