[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol

C14H28N2O — CID 117258456

IUPAC[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol
SMILESCC(C)N1CCC(C2CCNC(C)(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)16-7-5-13(9-16)12-4-6-15-14(3,8-12)10-17/h11-13,15,17H,4-10H2,1-3H3
InChIKeyKUSBMOGIOSFTDB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds3

About [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol

[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol (PubChem CID 117258456) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol
PubChem CID117258456
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol
SMILESCC(C)N1CCC(C2CCNC(C)(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-11(2)16-7-5-13(9-16)12-4-6-15-14(3,8-12)10-17/h11-13,15,17H,4-10H2,1-3H3
InChIKeyKUSBMOGIOSFTDB-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
CID 117258437
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
CID 117258285
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
4-(1-ethylpyrrolidin-3-yl)-2-(methoxymethyl)-2-methylpiperidine
CID 117258457
4-(1-ethylpyrrolidin-3-yl)-2,2-dimethylpiperidine
CID 117258195
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol?
The IUPAC name of [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol (CID 117258456) is [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol?
The canonical SMILES for [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol is CC(C)N1CCC(C2CCNC(C)(CO)C2)C1.
What is the InChIKey of [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol?
The InChIKey is KUSBMOGIOSFTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)16-7-5-13(9-16)12-4-6-15-14(3,8-12)10-17/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol?
[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 117258456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).