2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol

C12H23NO — CID 51345852

IUPAC2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCCC1
InChIInChI=1S/C12H23NO/c14-12-7-3-1-2-6-11(12)10-13-8-4-5-9-13/h11-12,14H,1-10H2
InChIKeyAMNNDVJJEULQBE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol

2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol (PubChem CID 51345852) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
PubChem CID51345852
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCCC1
InChIInChI=1S/C12H23NO/c14-12-7-3-1-2-6-11(12)10-13-8-4-5-9-13/h11-12,14H,1-10H2
InChIKeyAMNNDVJJEULQBE-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 104549743
2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875
2-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62611098
2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol
CID 62610755
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cyclopentan-1-ol
CID 79925411

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol (CID 51345852) is 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol is OC1CCCCCC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
The InChIKey is AMNNDVJJEULQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-12-7-3-1-2-6-11(12)10-13-8-4-5-9-13/h11-12,14H,1-10H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol?
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 51345852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).