2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

C17H32N2O — CID 63009019

IUPAC2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H32N2O/c20-17-6-2-1-5-16(17)14-19-11-7-15(8-12-19)13-18-9-3-4-10-18/h15-17,20H,1-14H2
InChIKeyMOSOXCBJTVUFFN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.35
Rot. Bonds4

About 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 63009019) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID63009019
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H32N2O/c20-17-6-2-1-5-16(17)14-19-11-7-15(8-12-19)13-18-9-3-4-10-18/h15-17,20H,1-14H2
InChIKeyMOSOXCBJTVUFFN-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclohexan-1-ol
CID 63009475
2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
2-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62611098
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 114800248
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 104549743
2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 63009019) is 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is OC1CCCCC1CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is MOSOXCBJTVUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c20-17-6-2-1-5-16(17)14-19-11-7-15(8-12-19)13-18-9-3-4-10-18/h15-17,20H,1-14H2.
What are the key properties of 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63009019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).