4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride

C16H29ClN2O — CID 90679205

IUPAC4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
SMILESCN1CCN(CC2(O)CC3CC4CC(C3)C2C4)CC1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-17-2-4-18(5-3-17)11-16(19)10-13-6-12-7-14(8-13)15(16)9-12;/h12-15,19H,2-11H2,1H3;1H
InChIKeyPEQRELJLFUYNKV-UHFFFAOYSA-N
MW300.87 g/mol
LogP1.84
Rot. Bonds2

About 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride

4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride (PubChem CID 90679205) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
PubChem CID90679205
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
SMILESCN1CCN(CC2(O)CC3CC4CC(C3)C2C4)CC1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-17-2-4-18(5-3-17)11-16(19)10-13-6-12-7-14(8-13)15(16)9-12;/h12-15,19H,2-11H2,1H3;1H
InChIKeyPEQRELJLFUYNKV-UHFFFAOYSA-N
XLogP1.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride with MolForge

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Related Compounds

4-[(Dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
CID 90679204
7-[(4-Methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 64410
7-[(Dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 64475
4-[(4-Methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol
CID 73823431
4-[(Dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol
CID 73823432
(1R,3R,4R,6S,8R)-4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol
CID 21679055
(1R,3R,4R,6S,8R)-4-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-4-ol
CID 21679056
(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 125484658
(1S,3R,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 125484660
(1S,3S,6S,7R,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 125484661
(1S,3R,6S,7R,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
CID 125484662

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride (CID 90679205) is 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride is CN1CCN(CC2(O)CC3CC4CC(C3)C2C4)CC1.Cl.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
The InChIKey is PEQRELJLFUYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-17-2-4-18(5-3-17)11-16(19)10-13-6-12-7-14(8-13)15(16)9-12;/h12-15,19H,2-11H2,1H3;1H.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride?
4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride is sourced from PubChem (CID 90679205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).