1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol

C19H30N2O — CID 67960796

IUPAC1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C19H30N2O/c1-16-4-2-3-5-18(16)15-21-10-6-17(7-11-21)14-20-12-8-19(22)9-13-20/h2-5,17,19,22H,6-15H2,1H3
InChIKeyLAHLMMOZXMEAGI-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.66
Rot. Bonds4

About 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol

1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol (PubChem CID 67960796) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
PubChem CID67960796
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C19H30N2O/c1-16-4-2-3-5-18(16)15-21-10-6-17(7-11-21)14-20-12-8-19(22)9-13-20/h2-5,17,19,22H,6-15H2,1H3
InChIKeyLAHLMMOZXMEAGI-UHFFFAOYSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111123249
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119068753
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]aniline
CID 63010141
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111442669

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol (CID 67960796) is 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol is Cc1ccccc1CN1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol?
The InChIKey is LAHLMMOZXMEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16-4-2-3-5-18(16)15-21-10-6-17(7-11-21)14-20-12-8-19(22)9-13-20/h2-5,17,19,22H,6-15H2,1H3.
What are the key properties of 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol?
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 302.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 67960796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).