(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol

C16H28N2O — CID 125484658

IUPAC(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
SMILESCN1CCN(C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](C3)C[C@H]42)CC1
InChIInChI=1S/C16H28N2O/c1-17-4-6-18(7-5-17)11-16(19)14-3-2-13-8-12(9-14)10-15(13)16/h12-15,19H,2-11H2,1H3/t12-,13-,14-,15+,16-/m0/s1
InChIKeyLREPBXXHYUDJMP-GVRJEKJASA-N
MW264.41 g/mol
LogP1.42
Rot. Bonds2

About (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol

(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol (PubChem CID 125484658) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol.

Molecular Properties

Compound Name(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
PubChem CID125484658
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol
SMILESCN1CCN(C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](C3)C[C@H]42)CC1
InChIInChI=1S/C16H28N2O/c1-17-4-6-18(7-5-17)11-16(19)14-3-2-13-8-12(9-14)10-15(13)16/h12-15,19H,2-11H2,1H3/t12-,13-,14-,15+,16-/m0/s1
InChIKeyLREPBXXHYUDJMP-GVRJEKJASA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol?
The IUPAC name of (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol (CID 125484658) is (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol.
What is the SMILES notation for (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol?
The canonical SMILES for (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol is CN1CCN(C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](C3)C[C@H]42)CC1.
What is the InChIKey of (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol?
The InChIKey is LREPBXXHYUDJMP-GVRJEKJASA-N. The full InChI is InChI=1S/C16H28N2O/c1-17-4-6-18(7-5-17)11-16(19)14-3-2-13-8-12(9-14)10-15(13)16/h12-15,19H,2-11H2,1H3/t12-,13-,14-,15+,16-/m0/s1.
What are the key properties of (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol?
(1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol has a molecular weight of 264.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6S,7S,8R)-7-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-7-ol is sourced from PubChem (CID 125484658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).