1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol

C16H25NO — CID 66272879

IUPAC1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCc1ccncc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-4-8-16(18,9-6-14)15-11-17-10-7-13(15)3/h7,10-12,14,18H,4-6,8-9H2,1-3H3
InChIKeySYPMKEIQPYCLFM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.81
Rot. Bonds2

About 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol

1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 66272879) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID66272879
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCc1ccncc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-4-8-16(18,9-6-14)15-11-17-10-7-13(15)3/h7,10-12,14,18H,4-6,8-9H2,1-3H3
InChIKeySYPMKEIQPYCLFM-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol (CID 66272879) is 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol is Cc1ccncc1C1(O)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is SYPMKEIQPYCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-5-4-8-16(18,9-6-14)15-11-17-10-7-13(15)3/h7,10-12,14,18H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol?
1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 66272879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).