dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol

C13H27N3O — CID 135161897

IUPACdimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol
SMILESCN1CCC(C2CCCN2C(O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-14(2)13(17)16-8-4-5-12(16)11-6-9-15(3)10-7-11/h11-13,17H,4-10H2,1-3H3
InChIKeyKBOUEZWMGPPFRY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.63
Rot. Bonds3

About dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol

dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol (PubChem CID 135161897) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol.

Molecular Properties

Compound Namedimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol
PubChem CID135161897
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Namedimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol
SMILESCN1CCC(C2CCCN2C(O)N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-14(2)13(17)16-8-4-5-12(16)11-6-9-15(3)10-7-11/h11-13,17H,4-10H2,1-3H3
InChIKeyKBOUEZWMGPPFRY-UHFFFAOYSA-N
XLogP0.63
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxy-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol
CID 135161765
dimethylamino-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
CID 135170107
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butan-2-ol
CID 65320344
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
N,N-dimethyl-2-(2-piperidin-4-ylpyrrolidin-1-yl)propanamide
CID 66271524
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
CID 118303128
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol?
The IUPAC name of dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol (CID 135161897) is dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol.
What is the SMILES notation for dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol?
The canonical SMILES for dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol is CN1CCC(C2CCCN2C(O)N(C)C)CC1.
What is the InChIKey of dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol?
The InChIKey is KBOUEZWMGPPFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-14(2)13(17)16-8-4-5-12(16)11-6-9-15(3)10-7-11/h11-13,17H,4-10H2,1-3H3.
What are the key properties of dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol?
dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol has a molecular weight of 241.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanol is sourced from PubChem (CID 135161897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).