1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C16H30N2O — CID 167323314

IUPAC1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESNC(C1CCNCC1)C1C(O)CCC2CCCCC21
InChIInChI=1S/C16H30N2O/c17-16(12-7-9-18-10-8-12)15-13-4-2-1-3-11(13)5-6-14(15)19/h11-16,18-19H,1-10,17H2
InChIKeyLNVMVJWJTJYJIE-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.89
Rot. Bonds2

About 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 167323314) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID167323314
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESNC(C1CCNCC1)C1C(O)CCC2CCCCC21
InChIInChI=1S/C16H30N2O/c17-16(12-7-9-18-10-8-12)15-13-4-2-1-3-11(13)5-6-14(15)19/h11-16,18-19H,1-10,17H2
InChIKeyLNVMVJWJTJYJIE-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 167323314) is 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is NC(C1CCNCC1)C1C(O)CCC2CCCCC21.
What is the InChIKey of 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is LNVMVJWJTJYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-16(12-7-9-18-10-8-12)15-13-4-2-1-3-11(13)5-6-14(15)19/h11-16,18-19H,1-10,17H2.
What are the key properties of 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 266.43 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(piperidin-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 167323314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).