6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol

C16H34N2O — CID 107707143

IUPAC6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
SMILESCC(C)CNCC1CCN(CCCCCCO)CC1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-14-16-7-10-18(11-8-16)9-5-3-4-6-12-19/h15-17,19H,3-14H2,1-2H3
InChIKeyLCNUSVNLFNWEOX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds10

About 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol

6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol (PubChem CID 107707143) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
PubChem CID107707143
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
SMILESCC(C)CNCC1CCN(CCCCCCO)CC1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-14-16-7-10-18(11-8-16)9-5-3-4-6-12-19/h15-17,19H,3-14H2,1-2H3
InChIKeyLCNUSVNLFNWEOX-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol (CID 107707143) is 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol is CC(C)CNCC1CCN(CCCCCCO)CC1.
What is the InChIKey of 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol?
The InChIKey is LCNUSVNLFNWEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2)13-17-14-16-7-10-18(11-8-16)9-5-3-4-6-12-19/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol?
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol is sourced from PubChem (CID 107707143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).