3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C14H30N2O — CID 114235602

IUPAC3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCNCC1(C)C
InChIInChI=1S/C14H30N2O/c1-13(2,3)11(7-9-17)16-12-6-8-15-10-14(12,4)5/h11-12,15-17H,6-10H2,1-5H3
InChIKeyBOQIJUDBCKQQGU-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.76
Rot. Bonds4

About 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114235602) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114235602
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCNCC1(C)C
InChIInChI=1S/C14H30N2O/c1-13(2,3)11(7-9-17)16-12-6-8-15-10-14(12,4)5/h11-12,15-17H,6-10H2,1-5H3
InChIKeyBOQIJUDBCKQQGU-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 114235602) is 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC1CCNCC1(C)C.
What is the InChIKey of 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is BOQIJUDBCKQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)11(7-9-17)16-12-6-8-15-10-14(12,4)5/h11-12,15-17H,6-10H2,1-5H3.
What are the key properties of 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylpiperidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114235602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).