1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol

C17H34N2O — CID 137391008

IUPAC1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol
SMILESCC(CC1CCN(C(C)(C)C)C1)N1CCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-14(18-10-7-17(5,20)8-11-18)12-15-6-9-19(13-15)16(2,3)4/h14-15,20H,6-13H2,1-5H3
InChIKeyPKYNRCDPMQUVAV-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.73
Rot. Bonds3

About 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol

1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol (PubChem CID 137391008) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol
PubChem CID137391008
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol
SMILESCC(CC1CCN(C(C)(C)C)C1)N1CCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-14(18-10-7-17(5,20)8-11-18)12-15-6-9-19(13-15)16(2,3)4/h14-15,20H,6-13H2,1-5H3
InChIKeyPKYNRCDPMQUVAV-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol (CID 137391008) is 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol is CC(CC1CCN(C(C)(C)C)C1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is PKYNRCDPMQUVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(18-10-7-17(5,20)8-11-18)12-15-6-9-19(13-15)16(2,3)4/h14-15,20H,6-13H2,1-5H3.
What are the key properties of 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol?
1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butylpyrrolidin-3-yl)propan-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 137391008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).