2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

C16H26N2O — CID 112553363

IUPAC2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCc1cccc(CN2CCN(CC(C)C)CC2)c1O
InChIInChI=1S/C16H26N2O/c1-13(2)11-17-7-9-18(10-8-17)12-15-6-4-5-14(3)16(15)19/h4-6,13,19H,7-12H2,1-3H3
InChIKeyLAWVSGKDSDQWJC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol

2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 112553363) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID112553363
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
SMILESCc1cccc(CN2CCN(CC(C)C)CC2)c1O
InChIInChI=1S/C16H26N2O/c1-13(2)11-17-7-9-18(10-8-17)12-15-6-4-5-14(3)16(15)19/h4-6,13,19H,7-12H2,1-3H3
InChIKeyLAWVSGKDSDQWJC-UHFFFAOYSA-N
XLogP2.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
2-[(5Z)-4,7-bis(carboxymethyl)-10-[(2-hydroxy-3-methylphenyl)methyl]-1,4,7,10-tetrazacyclododec-5-en-1-yl]acetic acid
CID 162768463
2,3-dimethoxy-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 15232152
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 112553604
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
CID 115903802
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
2-fluoro-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzonitrile
CID 103886041
[3-[3-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]methanamine
CID 174866108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol (CID 112553363) is 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is Cc1cccc(CN2CCN(CC(C)C)CC2)c1O.
What is the InChIKey of 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is LAWVSGKDSDQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)11-17-7-9-18(10-8-17)12-15-6-4-5-14(3)16(15)19/h4-6,13,19H,7-12H2,1-3H3.
What are the key properties of 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol?
2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 112553363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).