[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol

C14H28N2O — CID 115103198

IUPAC[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CCC(CC2(CO)CCCN2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16-8-4-13(5-9-16)10-14(11-17)6-3-7-15-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyWVGZYMVLGAFOHK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds4

About [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol

[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 115103198) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID115103198
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CCC(CC2(CO)CCCN2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)16-8-4-13(5-9-16)10-14(11-17)6-3-7-15-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyWVGZYMVLGAFOHK-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
[2-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 83080759
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
[2-(piperidin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115103316
[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 58547558
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
CID 83074639
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexan-1-ol
CID 170951892
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
4-[2-(methoxymethyl)pyrrolidin-2-yl]-1-propan-2-ylpiperidine
CID 117271828

Frequently Asked Questions

What is the IUPAC name of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 115103198) is [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol is CC(C)N1CCC(CC2(CO)CCCN2)CC1.
What is the InChIKey of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WVGZYMVLGAFOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16-8-4-13(5-9-16)10-14(11-17)6-3-7-15-14/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115103198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).